Data quality metrics extracted from 7ggx.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "04f4a7102b71a2d781e763275abbd498",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.34,
    "b": 52.69,
    "c": 44.65,
    "alpha": 90.0,
    "beta": 103.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91267],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.73,1.85],
    "number_observations": 72746,
    "number_observations_unique": 21842,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.125
      },
      {
        "type": "R(meas)",
        "value": 0.149
      },
      {
        "type": "R(pim)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 6.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.85],
      "number_observations": 5381,
      "number_observations_unique": 1603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.704
        },
        {
          "type": "R(meas)",
          "value": 2.026
        },
        {
          "type": "R(pim)",
          "value": 1.085
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.298
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):